SCHEMBL5222864

SCHEMBL5222864

CC(C)(C)[Si](C)(C)Oc1ccc(N2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
SCN2A Q99250 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.40
CA9 Q16790 3/20 0.39
MAPK1 P28482 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5255810 0.81 SCN2A (0.65) SCN2ALMNACA9CA12CA1
SCHEMBL229029 0.74 CA12 (0.44) LMNAALDH1A1RAB9ACA9MAPK1
SCHEMBL5235060 0.74 ALDH1A1 (0.46) LMNAALDH1A1RAB9ARECQLCA9
SCHEMBL16655162 0.74 ESR1 (0.57) ESR1ESR2SCN2ALMNAALDH1A1
SCHEMBL5579693 0.74 GRM5 (0.57) ESR1ESR2ALDH1A1RAB9APOLB
SCHEMBL7250881 0.73 NPC1 (0.54) ALDH1A1RAB9ARECQLCA9MAPK1
SCHEMBL5228156 0.73 TSHR (0.49) LMNAALDH1A1POLBCA9CA12
SCHEMBL5239876 0.73 CA12 (0.43) LMNAALDH1A1RAB9ACA9MAPK1
SCHEMBL21603046 0.73 MAPK1 (0.46) LMNAALDH1A1RAB9ACA9MAPK1
SCHEMBL27087776 0.73 LMNA (0.47) LMNAALDH1A1CA9MAPK1CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 ESR1 4237/4885ESR2 3777/4885SCN2A 1421/4885
US-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 ESR1 3835/4885ESR2 3945/4885SCN2A 1011/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 ESR1 4237/4885ESR2 3777/4885SCN2A 1421/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.